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C5H5N(+)(CH2)3COOH*BR(-)

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C5H5N(+)(CH2)3COOH*BR(-)
SpectraBase Compound ID Beb2Pvrl5sp
InChI InChI=1S/C9H11NO2.BrH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8H2;1H
InChIKey UPWHERHYKFMPRL-UHFFFAOYSA-N
Mol Weight 246.1 g/mol
Molecular Formula C9H12BrNO2
Exact Mass 245.005142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9d8Y5ErqDdT
Name C5H5N(+)(CH2)3COOH*BR(-)
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12BrNO2
InChI InChI=1S/C9H11NO2.BrH/c11-9(12)5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8H2;1H
InChIKey UPWHERHYKFMPRL-UHFFFAOYSA-N
Literature Reference Author Z.DEGA-SZAFRAN,E.DULEWICZ,M.SZAFRAN
Literature Reference Citation MAGN.RES.CHEM.,38,43(2000)
Literature Reference DOI 10.1002/(sici)1097-458x(200001)38:1<43::aid-mrc589>3.3.co;2-8
Molecular Weight 246.104 g/mol
Solvent D2O